2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene

C11H14N2 — CID 90160209

IUPAC2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene
SMILES[H]/N=N/C1CCCC2=CC=CCC=C21
InChIInChI=1S/C11H14N2/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-2,5,7,11-12H,3-4,6,8H2/b13-12+
InChIKeySWXRXKRZLFIBCS-OUKQBFOZSA-N
MW174.25 g/mol
LogP3.38
Rot. Bonds1

About 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene

2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene (PubChem CID 90160209) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene.

Molecular Properties

Compound Name2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene
PubChem CID90160209
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene
SMILES[H]/N=N/C1CCCC2=CC=CCC=C21
InChIInChI=1S/C11H14N2/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-2,5,7,11-12H,3-4,6,8H2/b13-12+
InChIKeySWXRXKRZLFIBCS-OUKQBFOZSA-N
XLogP3.38
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene?
The IUPAC name of 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene (CID 90160209) is 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene.
What is the SMILES notation for 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene?
The canonical SMILES for 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene is [H]/N=N/C1CCCC2=CC=CCC=C21.
What is the InChIKey of 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene?
The InChIKey is SWXRXKRZLFIBCS-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H14N2/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-2,5,7,11-12H,3-4,6,8H2/b13-12+.
What are the key properties of 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene?
2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene has a molecular weight of 174.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene is sourced from PubChem (CID 90160209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).